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Murcko scaffold

Ring system with 4 rings and 24 atoms

12 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 24
Chemicals: 12
With full pages: 3

Scaffold SMILES

C(=Cc1n[nH]c2cc(Sc3ccccc3)ccc12)c1ccccn1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold

Murcko scaffold C(=Cc1n[nH]c2cc(Sc3ccccc3)ccc12)c1ccccn1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 12 of 12 chemicals

N-Methyl-2-({3-[2-(pyridin-2-yl)ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide chemical structure, C22H18N4OS, CAS 1528729-60-3

N-Methyl-2-({3-[2-(pyridin-2-yl)ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide

CAS 1528729-60-3C₂₂H₁₈N₄OS

Axitinib chemical structure, C22H18N4OS, CAS 319460-85-0

CAS 319460-85-0C₂₂H₁₈N₄OS

Axitinib amide chemical structure, C21H16N4OS, CAS 319462-41-4

CAS 319462-41-4C₂₁H₁₆N₄OS

Axitinib acid chemical structure, C21H15N3O2S, CAS 3102672-00-1

CAS 3102672-00-1C₂₁H₁₅N₃O₂S

N-Methyl-2-((3-((Z)-2-(2-pyridinyl)vinyl)-1H-indazol-6-yl)sulfanyl)benzamide chemical structure, C22H18N4OS, CAS 885126-40-9

N-Methyl-2-((3-((Z)-2-(2-pyridinyl)vinyl)-1H-indazol-6-yl)sulfanyl)benzamide

CAS 885126-40-9C₂₂H₁₈N₄OS

Axitinib-d3 chemical structure, C22H18N4OS, CAS 1126623-89-9

CAS 1126623-89-9C₂₂H₁₈N₄OS

Axitinib-13C-d3 chemical structure, C22H18N4OS, CAS 1261432-00-1

Axitinib-13C-d3

CAS 1261432-00-1C₂₂H₁₈N₄OS

(E)-N-Methyl-3-((3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)thio)benzamide hydrochloride chemical structure, C22H19ClN4OS, CAS 319463-51-9

(E)-N-Methyl-3-((3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)thio)benzamide hydrochloride

CAS 319463-51-9C₂₂H₁₉ClN₄OS

N-[(1R)-1-(Hydroxymethyl)-3-(methylthio)propyl]-2-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzamide chemical structure, C26H26N4O2S2, CAS 319470-16-1

N-[(1R)-1-(Hydroxymethyl)-3-(methylthio)propyl]-2-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzamide

CAS 319470-16-1C₂₆H₂₆N₄O₂S₂

Axitinib metabolite M8b chemical structure, C22H18N4O2S, CAS 1349772-83-3

Axitinib metabolite M8b

CAS 1349772-83-3C₂₂H₁₈N₄O₂S

N-Acetyl axitinib chemical structure, C24H20N4O2S, CAS 1639137-80-6

N-Acetyl axitinib

CAS 1639137-80-6C₂₄H₂₀N₄O₂S

2-[[3-[(E)-2-(3,4,5,6-Tetradeuterio-2-pyridinyl)ethenyl]-1H-indazol-6-yl]sulfanyl]-N-(trideuteriomethyl)benzamide chemical structure, C22H18N4OS, CAS 3100363-40-1

2-[[3-[(E)-2-(3,4,5,6-Tetradeuterio-2-pyridinyl)ethenyl]-1H-indazol-6-yl]sulfanyl]-N-(trideuteriomethyl)benzamide

CAS 3100363-40-1C₂₂H₁₈N₄OS